(E)-2-methylbut-1-ene-1,3-diamine

C5H12N2 — CID 90453422

IUPAC(E)-2-methylbut-1-ene-1,3-diamine
SMILESC/C(=C\N)C(C)N
InChIInChI=1S/C5H12N2/c1-4(3-6)5(2)7/h3,5H,6-7H2,1-2H3/b4-3+
InChIKeySGXNIAVFSSYNIX-ONEGZZNKSA-N
MW100.16 g/mol
LogP0.20
Rot. Bonds1

About (E)-2-methylbut-1-ene-1,3-diamine

(E)-2-methylbut-1-ene-1,3-diamine (PubChem CID 90453422) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is (E)-2-methylbut-1-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-2-methylbut-1-ene-1,3-diamine
PubChem CID90453422
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name(E)-2-methylbut-1-ene-1,3-diamine
SMILESC/C(=C\N)C(C)N
InChIInChI=1S/C5H12N2/c1-4(3-6)5(2)7/h3,5H,6-7H2,1-2H3/b4-3+
InChIKeySGXNIAVFSSYNIX-ONEGZZNKSA-N
XLogP0.20
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methylbut-1-ene-1,3-diamine?
The IUPAC name of (E)-2-methylbut-1-ene-1,3-diamine (CID 90453422) is (E)-2-methylbut-1-ene-1,3-diamine.
What is the SMILES notation for (E)-2-methylbut-1-ene-1,3-diamine?
The canonical SMILES for (E)-2-methylbut-1-ene-1,3-diamine is C/C(=C\N)C(C)N.
What is the InChIKey of (E)-2-methylbut-1-ene-1,3-diamine?
The InChIKey is SGXNIAVFSSYNIX-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H12N2/c1-4(3-6)5(2)7/h3,5H,6-7H2,1-2H3/b4-3+.
What are the key properties of (E)-2-methylbut-1-ene-1,3-diamine?
(E)-2-methylbut-1-ene-1,3-diamine has a molecular weight of 100.16 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methylbut-1-ene-1,3-diamine is sourced from PubChem (CID 90453422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).